3-(2-methylpropyl)-1-(2-phenoxyethyl)piperazine-2,5-dione

C16H22N2O3 — CID 64878643

IUPAC3-(2-methylpropyl)-1-(2-phenoxyethyl)piperazine-2,5-dione
SMILESCC(C)CC1NC(=O)CN(CCOc2ccccc2)C1=O
InChIInChI=1S/C16H22N2O3/c1-12(2)10-14-16(20)18(11-15(19)17-14)8-9-21-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,17,19)
InChIKeyWDCROSCIMZVZNW-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.44
Rot. Bonds6

About 3-(2-methylpropyl)-1-(2-phenoxyethyl)piperazine-2,5-dione

3-(2-methylpropyl)-1-(2-phenoxyethyl)piperazine-2,5-dione (PubChem CID 64878643) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-(2-methylpropyl)-1-(2-phenoxyethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-(2-methylpropyl)-1-(2-phenoxyethyl)piperazine-2,5-dione
PubChem CID64878643
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-(2-methylpropyl)-1-(2-phenoxyethyl)piperazine-2,5-dione
SMILESCC(C)CC1NC(=O)CN(CCOc2ccccc2)C1=O
InChIInChI=1S/C16H22N2O3/c1-12(2)10-14-16(20)18(11-15(19)17-14)8-9-21-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,17,19)
InChIKeyWDCROSCIMZVZNW-UHFFFAOYSA-N
XLogP1.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-5-(2-methylpropyl)-3-(2-phenoxyethyl)imidazolidine-2,4-dione
CID 2704119
1-(2-cyclohexyloxyethyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64971621
1-[2-(4-bromophenoxy)ethyl]-3-propylpiperazine-2,5-dione
CID 64879037
3-(2-methylpropyl)-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione
CID 64880154
1-hexyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64879394
3-(2-methylpropyl)-1-octylpiperazine-2,5-dione
CID 64879391
1-(3-methoxy-2-methylpropyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64968689
1-[2-(4-bromophenoxy)ethyl]-3-methylpiperazine-2,5-dione
CID 64878616
1-(3-methyl-2-propan-2-ylbutyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 102908614
1-[(4-iodophenyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione
CID 65491574
(3R)-1-benzyl-3-(2-methylpropyl)-1,4-diazepane-2,5-dione
CID 102440944
1-(2-ethoxy-2-methylpropyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 114944458

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-1-(2-phenoxyethyl)piperazine-2,5-dione?
The IUPAC name of 3-(2-methylpropyl)-1-(2-phenoxyethyl)piperazine-2,5-dione (CID 64878643) is 3-(2-methylpropyl)-1-(2-phenoxyethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-(2-methylpropyl)-1-(2-phenoxyethyl)piperazine-2,5-dione?
The canonical SMILES for 3-(2-methylpropyl)-1-(2-phenoxyethyl)piperazine-2,5-dione is CC(C)CC1NC(=O)CN(CCOc2ccccc2)C1=O.
What is the InChIKey of 3-(2-methylpropyl)-1-(2-phenoxyethyl)piperazine-2,5-dione?
The InChIKey is WDCROSCIMZVZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12(2)10-14-16(20)18(11-15(19)17-14)8-9-21-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,17,19).
What are the key properties of 3-(2-methylpropyl)-1-(2-phenoxyethyl)piperazine-2,5-dione?
3-(2-methylpropyl)-1-(2-phenoxyethyl)piperazine-2,5-dione has a molecular weight of 290.36 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-1-(2-phenoxyethyl)piperazine-2,5-dione is sourced from PubChem (CID 64878643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).